Products Categories
| CAS No.: | 2892-18-4 |
|---|---|
| Name: | ISOBUTYL STYRYL KETONE |
| Molecular Structure: | |
|
|
|
| Formula: | C13H16O |
| Molecular Weight: | 188.269 |
| Synonyms: | 1-Phenyl-5-methyl-1-hexen-3-one;5-Methyl-1-phenyl-1-hexen-3-one;NSC 11849;NSC 31025;Styryl isobutyl ketone; |
| EINECS: | 220-760-9 |
| Density: | 0.97 g/cm3 |
| Melting Point: | 43 °C |
| Boiling Point: | 302.3 °C at 760 mmHg |
| Flash Point: | 111.2 °C |
| PSA: | 17.07000 |
| LogP: | 3.31500 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- Total:28 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The 1-Hexen-3-one,5-methyl-1-phenyl-, with the CAS registry number 2892-18-4, is also known as Styryl isobutyl ketone. Its EINECS number is 220-760-9. This chemical's molecular formula is C13H16O and molecular weight is 188.27. What's more, its systematic name is 5-Methyl-1-phenylhex-1-en-3-one. It should be sealed and stored in a cool and dry place.
Physical properties of 1-Hexen-3-one,5-methyl-1-phenyl- are: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.58; (5)ACD/BCF (pH 5.5): 311.16; (6)ACD/BCF (pH 7.4): 311.16; (7)ACD/KOC (pH 5.5): 2118.77; (8)ACD/KOC (pH 7.4): 2118.77; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 60.66 cm3; (15)Molar Volume: 193.9 cm3; (16)Polarizability: 24.04×10-24cm3; (17)Surface Tension: 35 dyne/cm; (18)Density: 0.97 g/cm3; (19)Flash Point: 111.2 °C; (20)Enthalpy of Vaporization: 54.25 kJ/mol; (21)Boiling Point: 302.3 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
Uses of 1-Hexen-3-one,5-methyl-1-phenyl-: it can be used to produce 5-methyl-1-phenyl-hexan-3-one at the temperature of 100 °C. It will need reagent cyclohexene with the reaction time of 3 hours. This reaction will also need catalyst Pd/SiO2-AlPO4. The yield is about 36.2%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C=Cc1ccccc1)CC(C)C
(2)InChI: InChI=1S/C13H16O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
(3)InChIKey: LLVCDRTZBYXKII-UHFFFAOYSA-N